ChemDiv1_001688
TL;DR: ChemDiv1_001688 (CAS 304861-34-5) is a chemical compound with molecular formula C18H10BrN3O3S2 and molecular weight 458.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
Also Known As: ChemDiv1_001688, BAS 00786668, 4-bromo-N-[(5Z)-4-oxo-5-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide, (4-bromophenyl)-N-[4-oxo-5-(2-oxo(1H-benzo[d]azolidin-3-ylidene))-2-thioxo(1,3 -thiazolidin-3-yl)]carboxamide, 4-bromo-N-[(5Z)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C18H10BrN3O3S2 |
|---|---|
| Molecular Weight | 458.93 g/mol |
| LogP | 2.48989 |
| Topological Polar Surface Area | 83.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.9347 |
| Heavy Atoms | 27 |
| Complexity | 1276.416 |
Chemical Identifiers
| CAS Number | 304861-34-5 |
|---|---|
| SMILES | C1=CC2=C(C(=O)N=C2C=C1)C3=C(N(C(=S)S3)NC(=O)C4=CC=C(C=C4)Br)O |
Product Overview
ChemDiv1_001688 (CAS 304861-34-5), with molecular formula C18H10BrN3O3S2 and molecular weight 458.93 g/mol. IUPAC: 4-bromo-N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_001688
Property Insights of ChemDiv1_001688
The XLogP value of 2.48989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001688. The TPSA of 83.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001688. Following Lipinski's Rule of Five, ChemDiv1_001688 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001688?
The CAS number of ChemDiv1_001688 is 304861-34-5.
What is the molecular formula of ChemDiv1_001688?
The molecular formula of ChemDiv1_001688 is C18H10BrN3O3S2.
What is the molecular weight of ChemDiv1_001688?
The molecular weight of ChemDiv1_001688 is 458.93 g/mol.
Where can I buy ChemDiv1_001688?
You can request a quote for ChemDiv1_001688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001688?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.